Li CHEN
,
Hua LI
,
Liangmo MEI
材料科学技术（英文）
The electronic structures of new superconducting perovskite MgCNi3 and related compounds MgCNi2T (T=Co, Fe, and Cu) have been studied using MS-Xα method. In MgCNi3, the main peak of density of states is located below the Fermi level and dominated by Ni d. From the results of total energy calculation...
关键词:
Electronic structure
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